Basic information
- Standard SMILES
CC(=O)Nc1nccnc1C(=O)O.Cc1ccccc1C(N)=O- InChIKey
ULOIAISIIBENSD-UHFFFAOYSA-N- Molecular formula
- C15H16N4O4
- Average molar mass
- 316.31 g/mol
- Monoisotopic mass
- 316.117155
Names & identifiers
- Preferred name
- 3-Acetamidopyrazine-2-carboxylic acid o-toluamide
- IUPAC
- 3-acetamidopyrazine-2-carboxylic acid;2-methylbenzamide
Names & synonyms
SCHEMBL6221118ULOIAISIIBENSD-UHFFFAOYSA-N3-acetamidopyrazine-2-carboxylic acid o-toluamide
Database identifiers
- PubChem CID
- 69709772
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 352
Related reactions
4 records
Compound notes
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